Credentials of the Director
Osman F. Güner
Osman F. Güner
 | Degrees | |
| Employment History | |
| List of Publications | |
| List of Abstracts and Presentations | |
| Teaching Experience | |
| Professional Affiliations | |
| Professional Activities | |
| Other Activities | |
(39.) Clement, O.; Güner, O. F. “Use of Pharmacophores in Predictive ADME,” Pharmacokinetic
Profiling in Drug Research, Testa, B.; Krämer, S.D.; Wunderli-Allenspach, H.: Folkers, G. Eds., Wiley VCH,
Zurich, 2006
(38.) Clement, O.; Güner, O. F. “Possibilities for transfer of relevant data without revealing structural
information,” J. Comput.-Aid. Molec. Des. 2005, 19(9-10), 731-738
(37.) Güner, O. F. “The impact of pharmacophores in drug design,” IDrugs 2005, 8(7), 567-572
(36.) Lim-Wilby, M. S. L.; Lyons, T. A.; Dooley, M.; Goupil-Lamy, A.; Patel, S.; Schneider, C.; Hoffmann,
R,; Bertrand, H.- O.; Güner, O. F. “Classification of Ligand-Receptor Complexes based on receptor-
binding site characteristics,” Virtual Screening in Drug Discovery, Alvarez, J. C., Shoichet, B. Eds., Marcel
Dekker, Inc., New York, 2005, 279-299.
(35.) Clement, O.; Güner, O. F. “Effective Use of Pharmacophores in Computer-Aided Drug Design:
Some Recent Examples,” EuroQSAR 2004 Proceedings, Eds E. Aki (Sener) and I. Yalcin, Ankara, Turkey,
2005, pp 353-355.
(34.) Güner, O. F.; Clement, O.; Kurogi, Y. “Pharmacophore Modeling and Three-Dimensional
Database Seraching for Drug Design Using Catalyst: Recent Advances,” Curr. Med. Chem., 2004, 11,
2991-3005.
(33). Vaschetto, M.; Weissbrot, T.; Bodle, D.; Güner, O. F. "Enabling high-throughput discovery,” Curr.
Op. in Drug Disc. Dev. 2003, 6(3), 377-383.
(32). Güner, O. F. "History and Evolution of the Pharmacophore Concept in Computer-Aided Drug
Design,” Curr. Top. in Med. Chem. 2002, 2, 1321-1332.
(31). Fisher, L. S., and Güner, O. F. "Seeking Novel Leads through Structure-Based Pharmacophore
Design,” J. Braz. Chem. Soc. 2002, 13(6), 777-787.
(30). Kurogi, Y, and Güner, O. F. "Pharmacophore Modeling and Three-Dimensional Database
Searching for Drug Design Using Catalyst,” in Current Medicinal Chemistry, 2001, 8(9), 1035-1055.
(29). Sutter, J. S.; Güner, O. F.; Hoffmann, R.; Waldman, M.; Li. H. "Effects of Variable Weights and
Tolerances in Predictive Model Generation” in Pharmacophore Perception, Development, and Use for
Drug Design, Güner, O. F. (Ed.), International University Line, 2000, 499-511.
(28). Ozkabak, A. G.; Miller, M. A.; Henry, D. R.; Güner, O. F. "Development and Optimization of Property-
Based Pharmacophores” in Pharmacophore Perception, Development, and Use for Drug Design, Güner,
O. F. (Ed.), International University Line, 2000, 472-494.
(27). Güner, O. F. "Manual Pharmacophore Generation: Visual Pattern Recognition” in
Pharmacophore Perception, Development, and Use for Drug Design, Güner, O. F. (Ed.), International
University Line, 2000, 17-22.
(26). Güner, O. F. Waldman, M.; Hoffmann, R.; Kim, J-H. "Strategies in Database Mining and
Pharmacophore Development” in Pharmacophore Perception, Development, and Use for Drug Design,
Güner, O. F. (Ed.), International University Line, 2000, 213-232.
(25). Güner, O. F. and Henry, D. R. "Metrics for Analyzing Hit Lists and Pharmacophores” in
Pharmacophore Perception, Development, and Use for Drug Design, Güner, O. F. (Ed.), International
University Line, 2000, 193-211.
(24). Güner, O. F. and Casher, O. "Role of the Internet in Cheminformatics: Recent Developments” in
Current Opinion in Drug Discovery and Development, Brown, F. and Gund, P. (Eds.); 1999, 2(3), 204-208.
(23). Güner, O. F. and Henry, D. R. "3D Structure Searching” in The Encyclopedia of Computational
Chemistry, Schleyer, P. v. R.; Allinger, N. L., Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.;
Schreiner, P. R. (Eds.); John Wiley & Sons: Chichester, 1998, vol 5, pp. 2988-3003.
(22). Güner, O. F.; Hempel, J. C.; Lie, G. C. "Computer-Aided Design of Non-Peptide Endothelin
Antagonists." The Collection of Theses, China International Symposium on Biotechnology and
Pharmaceutical Industry, June 25-28, 1996; pp 545-547.
(21). Hempel, J. C; Cordova, T. S.; Güner, O. F.; Hassan, M.; Koerber, S. C.; Vorpagel, E. R.
"Pharmacophore Hypotheses and Peptidomimetic Design Strategies: Endothelin ETA Antagonists.” Eur.
J. Med. Chem. 1995, 30, 391s-395s.
(20). Henry, D. R.; Güner, O. F "Techniques for Searching Databases of Three-Dimensional (3D)
Structures with Receptor-Based Queries." Electronic Conference on Trends in Organic Chemistry
(ECTOC-1), Eds. H. S. Rzepa and J. G. Goodman (CD-ROM), Royal Society of Chemistry publications,
1995. see also http://www.ch.ic.ac.uk/ectoc/papers/
(19). Güner, O. F.; Henry, D. R.; Moock, T. E.; Pearlman, R. S. "Flexible Queries in 3D Searching. 2.
Techniques in 3D Query Formulation." Tetrahedron Comput. Meth. 1990, 3(6C), 557.
(18). Güner, O. F.; Henry, D. R.; Pearlman, R. S. "Use of Flexible Queries for Searching
Conformationally Flexible Molecules in Databases of Three-Dimensional Structures." J. Chem. Inf.
Comput. Sci. 1992, 32,109-115.
(17). Güner, O. F.; Hughes, D. W.; Dumont, L. M. "An Integrated Approach to Three-Dimensional
Information Management with MACCS-3D." J. Chem. Inf. Comput. Sci. 1991, 31, 408-414.
(16). Güner, O. F.; Dumont, L. M. "3D Searching in Computer-Aided Drug Design." Pharmaceutical
Manufacturers International 1991, Barber, M.S., Barnacal, P.A., Eds; Sterling Publications: London 1990;
pp 65-68.
(15). Lammertsma, K.; Güner, O. F.; Sudhakar, P. V. "Rhombic C4. Does it Contain the Shortest Non-
bonding C-C Distance?" J. Chem. Phys. 1991, 94(12), 8105-8111.
(14). Christie, B. D.; Henry, D. R.; Güner, O. F.; Moock, T. E. "MACCS-3D: a Tool for Three-
Dimensional Drug Design." Online Information 90, 14th International Online Information Meeting
Proceedings, Raitt, D. I. Ed.; 1990, Learned Information, Oxford; pp 137-161.
(13). Güner, O. F.; Lammertsma, K. "Structural and Electronic Properties of the Tetraatomic B2Be2
Cluster." J. Am. Chem. Soc. 1990, 112, 508.
(12). Güner, O. F.; Lammertsma, K.; Alston, P. V.; Ottenbrite, R. M.; Shillady, D. D. "Theoretical
Evaluation of Epimerization in Diels-Alder Cycloadducts." J. Org. Chem. 1990, 55, 28.
(11). Lammertsma, K.; Güner, O. F.; Thibodeaux, A. F.; Schleyer, P. v. R. "Structures and Energies of
Isomeric C3H62+ Dications." J. Am. Chem. Soc. 1989, 111, 8995.
(10). Sudhakar, P. V.; Güner, O. F.; Lammerstma, K. "Bond Stretch Isomerism in C2Si2." J. Phys.
Chem. 1989, 93, 7289.
(9). Montgomery, J. A. Jr.; Michels, H. H.; Güner, O. F.; Lammertsma, K. "The Structure and Bonding of
Li3H Ion-Pair States." Chem. Phys. Lett. 1989, 161, 291.
(8). Lammertsma, K.; Güner, O. F.; Drewes, R. M.; Reed, A.; Schleyer, P. v. R. "Remarkable Structures
of Dialane(4), Al2H4." Inorg. Chem. 1989, 28, 312.
(7). Olah, G. A.; Anizfeld, R.; Prakash, G. H. S.; Williams, R. E.; Lammertsma, K.; Güner, O. F.
"Hydrogen-Deuterium Exchange of Diborane in Superacid Solution Through Diboranonium (B2H7+), and
Diboranium (B2H5+) Ions." J. Am. Chem. Soc. 1988, 110, 7885.
(6). Güner, O. F.; Ottenbrite, R. M.; Shillady, D. D.; Alston, P. V. "Epimerization and Stereoselectivity in
the Diels-Alder Reaction of Monosubstituted Dienophiles." J. Org. Chem. 1988, 53, 5348.
(5). Lammertsma, K.; Güner, O. F. "Structures and Energies of Disilicon Dicarbide, C2Si2." J. Am.
Chem. Soc. 1988, 110, 5239.
(4). Güner, O. F.; Shillady, D. D.; Ottenbrite, R. M.; Rao, B. K.; Yurtsever, E. "Pair-Excitation MCSCF
Treatment of Small Molecules in an Optimized Slater-Transform-Preuss (STP) Basis Set." Int. J.
Quantum Chem. 1987, 32, 551.
(3). Güner, O. F.; Ottenbrite, R. M.; Alston, P. V.; Shillady, D. D. "An ab initio Molecular Orbital
Evaluation of Lewis Acid Catalysis on the Diels-Alder Reactions of Acrolein." J. Org. Chem. 1987, 52, 391.
(2). Alston, P. V.; Ottenbrite, R. M.; Güner, O. F.; Shillady, D. D. "A Transition State FMO Approach for
Prediction of the Regioselectivity of the Diels-Alder Reaction." Tetrahedron 1986, 42, 4403.
(1). Güner, O. F. "The Influence of Secondary Orbital Interactions in Diels-Alder Reactions." Ph.D.
Dissertation, Virginia Commonwealth University, 1986; [Diss. Abst. Intl. 1988, 48, 2321B].
Profiling in Drug Research, Testa, B.; Krämer, S.D.; Wunderli-Allenspach, H.: Folkers, G. Eds., Wiley VCH,
Zurich, 2006
(38.) Clement, O.; Güner, O. F. “Possibilities for transfer of relevant data without revealing structural
information,” J. Comput.-Aid. Molec. Des. 2005, 19(9-10), 731-738
(37.) Güner, O. F. “The impact of pharmacophores in drug design,” IDrugs 2005, 8(7), 567-572
(36.) Lim-Wilby, M. S. L.; Lyons, T. A.; Dooley, M.; Goupil-Lamy, A.; Patel, S.; Schneider, C.; Hoffmann,
R,; Bertrand, H.- O.; Güner, O. F. “Classification of Ligand-Receptor Complexes based on receptor-
binding site characteristics,” Virtual Screening in Drug Discovery, Alvarez, J. C., Shoichet, B. Eds., Marcel
Dekker, Inc., New York, 2005, 279-299.
(35.) Clement, O.; Güner, O. F. “Effective Use of Pharmacophores in Computer-Aided Drug Design:
Some Recent Examples,” EuroQSAR 2004 Proceedings, Eds E. Aki (Sener) and I. Yalcin, Ankara, Turkey,
2005, pp 353-355.
(34.) Güner, O. F.; Clement, O.; Kurogi, Y. “Pharmacophore Modeling and Three-Dimensional
Database Seraching for Drug Design Using Catalyst: Recent Advances,” Curr. Med. Chem., 2004, 11,
2991-3005.
(33). Vaschetto, M.; Weissbrot, T.; Bodle, D.; Güner, O. F. "Enabling high-throughput discovery,” Curr.
Op. in Drug Disc. Dev. 2003, 6(3), 377-383.
(32). Güner, O. F. "History and Evolution of the Pharmacophore Concept in Computer-Aided Drug
Design,” Curr. Top. in Med. Chem. 2002, 2, 1321-1332.
(31). Fisher, L. S., and Güner, O. F. "Seeking Novel Leads through Structure-Based Pharmacophore
Design,” J. Braz. Chem. Soc. 2002, 13(6), 777-787.
(30). Kurogi, Y, and Güner, O. F. "Pharmacophore Modeling and Three-Dimensional Database
Searching for Drug Design Using Catalyst,” in Current Medicinal Chemistry, 2001, 8(9), 1035-1055.
(29). Sutter, J. S.; Güner, O. F.; Hoffmann, R.; Waldman, M.; Li. H. "Effects of Variable Weights and
Tolerances in Predictive Model Generation” in Pharmacophore Perception, Development, and Use for
Drug Design, Güner, O. F. (Ed.), International University Line, 2000, 499-511.
(28). Ozkabak, A. G.; Miller, M. A.; Henry, D. R.; Güner, O. F. "Development and Optimization of Property-
Based Pharmacophores” in Pharmacophore Perception, Development, and Use for Drug Design, Güner,
O. F. (Ed.), International University Line, 2000, 472-494.
(27). Güner, O. F. "Manual Pharmacophore Generation: Visual Pattern Recognition” in
Pharmacophore Perception, Development, and Use for Drug Design, Güner, O. F. (Ed.), International
University Line, 2000, 17-22.
(26). Güner, O. F. Waldman, M.; Hoffmann, R.; Kim, J-H. "Strategies in Database Mining and
Pharmacophore Development” in Pharmacophore Perception, Development, and Use for Drug Design,
Güner, O. F. (Ed.), International University Line, 2000, 213-232.
(25). Güner, O. F. and Henry, D. R. "Metrics for Analyzing Hit Lists and Pharmacophores” in
Pharmacophore Perception, Development, and Use for Drug Design, Güner, O. F. (Ed.), International
University Line, 2000, 193-211.
(24). Güner, O. F. and Casher, O. "Role of the Internet in Cheminformatics: Recent Developments” in
Current Opinion in Drug Discovery and Development, Brown, F. and Gund, P. (Eds.); 1999, 2(3), 204-208.
(23). Güner, O. F. and Henry, D. R. "3D Structure Searching” in The Encyclopedia of Computational
Chemistry, Schleyer, P. v. R.; Allinger, N. L., Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.;
Schreiner, P. R. (Eds.); John Wiley & Sons: Chichester, 1998, vol 5, pp. 2988-3003.
(22). Güner, O. F.; Hempel, J. C.; Lie, G. C. "Computer-Aided Design of Non-Peptide Endothelin
Antagonists." The Collection of Theses, China International Symposium on Biotechnology and
Pharmaceutical Industry, June 25-28, 1996; pp 545-547.
(21). Hempel, J. C; Cordova, T. S.; Güner, O. F.; Hassan, M.; Koerber, S. C.; Vorpagel, E. R.
"Pharmacophore Hypotheses and Peptidomimetic Design Strategies: Endothelin ETA Antagonists.” Eur.
J. Med. Chem. 1995, 30, 391s-395s.
(20). Henry, D. R.; Güner, O. F "Techniques for Searching Databases of Three-Dimensional (3D)
Structures with Receptor-Based Queries." Electronic Conference on Trends in Organic Chemistry
(ECTOC-1), Eds. H. S. Rzepa and J. G. Goodman (CD-ROM), Royal Society of Chemistry publications,
1995. see also http://www.ch.ic.ac.uk/ectoc/papers/
(19). Güner, O. F.; Henry, D. R.; Moock, T. E.; Pearlman, R. S. "Flexible Queries in 3D Searching. 2.
Techniques in 3D Query Formulation." Tetrahedron Comput. Meth. 1990, 3(6C), 557.
(18). Güner, O. F.; Henry, D. R.; Pearlman, R. S. "Use of Flexible Queries for Searching
Conformationally Flexible Molecules in Databases of Three-Dimensional Structures." J. Chem. Inf.
Comput. Sci. 1992, 32,109-115.
(17). Güner, O. F.; Hughes, D. W.; Dumont, L. M. "An Integrated Approach to Three-Dimensional
Information Management with MACCS-3D." J. Chem. Inf. Comput. Sci. 1991, 31, 408-414.
(16). Güner, O. F.; Dumont, L. M. "3D Searching in Computer-Aided Drug Design." Pharmaceutical
Manufacturers International 1991, Barber, M.S., Barnacal, P.A., Eds; Sterling Publications: London 1990;
pp 65-68.
(15). Lammertsma, K.; Güner, O. F.; Sudhakar, P. V. "Rhombic C4. Does it Contain the Shortest Non-
bonding C-C Distance?" J. Chem. Phys. 1991, 94(12), 8105-8111.
(14). Christie, B. D.; Henry, D. R.; Güner, O. F.; Moock, T. E. "MACCS-3D: a Tool for Three-
Dimensional Drug Design." Online Information 90, 14th International Online Information Meeting
Proceedings, Raitt, D. I. Ed.; 1990, Learned Information, Oxford; pp 137-161.
(13). Güner, O. F.; Lammertsma, K. "Structural and Electronic Properties of the Tetraatomic B2Be2
Cluster." J. Am. Chem. Soc. 1990, 112, 508.
(12). Güner, O. F.; Lammertsma, K.; Alston, P. V.; Ottenbrite, R. M.; Shillady, D. D. "Theoretical
Evaluation of Epimerization in Diels-Alder Cycloadducts." J. Org. Chem. 1990, 55, 28.
(11). Lammertsma, K.; Güner, O. F.; Thibodeaux, A. F.; Schleyer, P. v. R. "Structures and Energies of
Isomeric C3H62+ Dications." J. Am. Chem. Soc. 1989, 111, 8995.
(10). Sudhakar, P. V.; Güner, O. F.; Lammerstma, K. "Bond Stretch Isomerism in C2Si2." J. Phys.
Chem. 1989, 93, 7289.
(9). Montgomery, J. A. Jr.; Michels, H. H.; Güner, O. F.; Lammertsma, K. "The Structure and Bonding of
Li3H Ion-Pair States." Chem. Phys. Lett. 1989, 161, 291.
(8). Lammertsma, K.; Güner, O. F.; Drewes, R. M.; Reed, A.; Schleyer, P. v. R. "Remarkable Structures
of Dialane(4), Al2H4." Inorg. Chem. 1989, 28, 312.
(7). Olah, G. A.; Anizfeld, R.; Prakash, G. H. S.; Williams, R. E.; Lammertsma, K.; Güner, O. F.
"Hydrogen-Deuterium Exchange of Diborane in Superacid Solution Through Diboranonium (B2H7+), and
Diboranium (B2H5+) Ions." J. Am. Chem. Soc. 1988, 110, 7885.
(6). Güner, O. F.; Ottenbrite, R. M.; Shillady, D. D.; Alston, P. V. "Epimerization and Stereoselectivity in
the Diels-Alder Reaction of Monosubstituted Dienophiles." J. Org. Chem. 1988, 53, 5348.
(5). Lammertsma, K.; Güner, O. F. "Structures and Energies of Disilicon Dicarbide, C2Si2." J. Am.
Chem. Soc. 1988, 110, 5239.
(4). Güner, O. F.; Shillady, D. D.; Ottenbrite, R. M.; Rao, B. K.; Yurtsever, E. "Pair-Excitation MCSCF
Treatment of Small Molecules in an Optimized Slater-Transform-Preuss (STP) Basis Set." Int. J.
Quantum Chem. 1987, 32, 551.
(3). Güner, O. F.; Ottenbrite, R. M.; Alston, P. V.; Shillady, D. D. "An ab initio Molecular Orbital
Evaluation of Lewis Acid Catalysis on the Diels-Alder Reactions of Acrolein." J. Org. Chem. 1987, 52, 391.
(2). Alston, P. V.; Ottenbrite, R. M.; Güner, O. F.; Shillady, D. D. "A Transition State FMO Approach for
Prediction of the Regioselectivity of the Diels-Alder Reaction." Tetrahedron 1986, 42, 4403.
(1). Güner, O. F. "The Influence of Secondary Orbital Interactions in Diels-Alder Reactions." Ph.D.
Dissertation, Virginia Commonwealth University, 1986; [Diss. Abst. Intl. 1988, 48, 2321B].
Copyright © 2006-2013 Osman F. Güner. All Rights Reserved
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